3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

C17H19FN2O4 — CID 71088808

IUPAC3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H19FN2O4/c1-11-8-19(15-7-6-14(10-21)24-15)17(23)20(16(11)22)9-12-2-4-13(18)5-3-12/h2-5,8,14-15,21H,6-7,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyUFGHKKNEKVPZJK-LSDHHAIUSA-N
MW334.35 g/mol
LogP1.18
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 71088808) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID71088808
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2CC[C@@H](CO)O2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H19FN2O4/c1-11-8-19(15-7-6-14(10-21)24-15)17(23)20(16(11)22)9-12-2-4-13(18)5-3-12/h2-5,8,14-15,21H,6-7,9-10H2,1H3/t14-,15+/m0/s1
InChIKeyUFGHKKNEKVPZJK-LSDHHAIUSA-N
XLogP1.18
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 71088808) is 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2CC[C@@H](CO)O2)c(=O)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UFGHKKNEKVPZJK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-11-8-19(15-7-6-14(10-21)24-15)17(23)20(16(11)22)9-12-2-4-13(18)5-3-12/h2-5,8,14-15,21H,6-7,9-10H2,1H3/t14-,15+/m0/s1.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 334.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 71088808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).